Rosiaite (PbSb$_{2}$O$_{6}$) Structure: A6BC2_hP9_162_k_a_d-001
| Prototype | O$_{6}$PbSb$_{2}$ |
| AFLOW prototype label | A6BC2_hP9_162_k_a_d-001 |
| Mineral name | rosiaite |
| ICSD | 81387 |
| Pearson symbol | hP9 |
| Space group number | 162 |
| Space group symbol | $P\overline{3}1m$ |
| AFLOW prototype command |
aflow --proto=A6BC2_hP9_162_k_a_d-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak z_{3}$ |
Other compounds with this structure
MnSeTeO$_{6}$, MnSnTeO$_{6}$, PbTeGeO$_{6}$, SrIr$_{2}$O$_{6}$
- This is the ternary form of the $L'3_{2}$ ($\beta$–V$_{2}$N) structure.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Pb I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2d) | Sb I |
| $\mathbf{B_{3}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2d) | Sb I |
| $\mathbf{B_{4}}$ | = | $x_{3} \, \mathbf{a}_{1}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (6k) | O I |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (6k) | O I |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+c z_{3} \,\mathbf{\hat{z}}$ | (6k) | O I |
| $\mathbf{B_{7}}$ | = | $- x_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{3} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (6k) | O I |
| $\mathbf{B_{8}}$ | = | $- x_{3} \, \mathbf{a}_{1}- z_{3} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (6k) | O I |
| $\mathbf{B_{9}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}- c z_{3} \,\mathbf{\hat{z}}$ | (6k) | O I |
References
- R. Basso, G. Lucchetti, L. Zefiro, and A. Palenzona, Rosiaite, PbSb$_{2}$O$_{6}$, a new mineral from the Cetine mine, Siena, Italy, Eur. J. of Mineral. 8, 487–492 (1996).
Prototype Generator
aflow --proto=A6BC2_hP9_162_k_a_d --params=$a,c/a,x_{3},z_{3}$